3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol

C14H23NO2 — CID 43207421

IUPAC3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
SMILESCC(C)OCCCNC(C)c1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-11(2)17-9-5-8-15-12(3)13-6-4-7-14(16)10-13/h4,6-7,10-12,15-16H,5,8-9H2,1-3H3
InChIKeyLTZNCMXDVVERFY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.86
Rot. Bonds7

About 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol

3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol (PubChem CID 43207421) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
PubChem CID43207421
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol
SMILESCC(C)OCCCNC(C)c1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-11(2)17-9-5-8-15-12(3)13-6-4-7-14(16)10-13/h4,6-7,10-12,15-16H,5,8-9H2,1-3H3
InChIKeyLTZNCMXDVVERFY-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43108754
N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
3-[1-[3-(N-methylanilino)propylamino]ethyl]phenol
CID 43192320
3-[1-(2,2-dimethoxyethylamino)ethyl]phenol
CID 60816650
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol?
The IUPAC name of 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol (CID 43207421) is 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol is CC(C)OCCCNC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol?
The InChIKey is LTZNCMXDVVERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)17-9-5-8-15-12(3)13-6-4-7-14(16)10-13/h4,6-7,10-12,15-16H,5,8-9H2,1-3H3.
What are the key properties of 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol?
3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yloxypropylamino)ethyl]phenol is sourced from PubChem (CID 43207421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).